To elucidate the potential mechanisms behind the observed biological activities, molecular docking studies were performed against two key targets: human Thymidylate Synthase (TS, PDB: 1HZW), a critical enzyme in cancer cell proliferation, and fungal Lanosterol 14α-demethylase (CYP51, PDB: 5V5Z), a cornerstone of ergosterol biosynthesis. The gene discussed is CYP51A1; the disease is cancer.